N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C19H12ClF7N4O — CID 43049895

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C19H12ClF7N4O/c1-30(9-12-13(20)3-2-4-14(12)21)17(32)11-8-29-31(16(11)19(25,26)27)15-6-5-10(7-28-15)18(22,23)24/h2-8H,9H2,1H3
InChIKeyOMPSKBZDVRIBCF-UHFFFAOYSA-N
MW480.77 g/mol
LogP5.37
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 43049895) has the molecular formula C19H12ClF7N4O and a molecular weight of 480.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID43049895
Molecular FormulaC19H12ClF7N4O
Molecular Weight480.77 g/mol
Exact Mass480.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F
InChIInChI=1S/C19H12ClF7N4O/c1-30(9-12-13(20)3-2-4-14(12)21)17(32)11-8-29-31(16(11)19(25,26)27)15-6-5-10(7-28-15)18(22,23)24/h2-8H,9H2,1H3
InChIKeyOMPSKBZDVRIBCF-UHFFFAOYSA-N
XLogP5.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 37139294
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813721
N-[(3,4-difluorophenyl)methyl]-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 47022577
N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
N-[(4-chlorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813931
5-(trifluoromethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43049857
N,5-dimethyl-N-(2-methylpropyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 134059010
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55669307
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
N-methyl-5-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 55651704
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 18112160
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 43049895) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is OMPSKBZDVRIBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF7N4O/c1-30(9-12-13(20)3-2-4-14(12)21)17(32)11-8-29-31(16(11)19(25,26)27)15-6-5-10(7-28-15)18(22,23)24/h2-8H,9H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 480.77 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 43049895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).